%chk=000055521.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055521

0 1
 S   -1.957900      -3.269300     -0.5210000    
 O    1.505900      -1.805500      0.7052000    
 O   -2.578500      -1.733000     -0.7052000    
 O   0.3602000      -1.491000      -1.283600    
 N  -0.5441000      -2.863100      0.3564000    
 C    3.307000       2.709000      0.1995000    
 C    3.387600       1.240600     -4.6999998E-02
 C    2.055300       3.345000     -0.4345000    
 C    3.368100       3.059000       1.698400    
 C    2.396600      0.3942000      0.4502000    
 C    4.454500      0.7132000     -0.7746000    
 C    2.499000     -0.9567000      0.2063000    
 C    4.530400     -0.6603000      -1.005100    
 C    3.539300      -1.506600     -0.5079000    
 C   -3.405700      0.2983000      0.2168000    
 C   -2.855800      -1.065000      0.5174000    
 C   0.4318000      -2.010700     -0.1701000    
 C   -2.538300       1.377200      8.5600004E-02
 C   -4.777700      0.4709000      7.2600000E-02
 C   -3.049500       2.644700     -0.1934000    
 C   -5.289100       1.738300     -0.2066000    
 C   -4.424900       2.825200     -0.3395000    
 C  -0.4143000      -3.454200       1.680300    
 H    4.173700       3.195400     -0.2687000    
 H    2.007600       3.124400      -1.506800    
 H    2.075700       4.433700     -0.3156000    
 H    1.131300       2.976800      2.4599999E-02
 H    2.496500       2.680400       2.243200    
 H    3.402500       4.144900       1.837800    
 H    4.264700       2.631800       2.161300    
 H    1.557200      0.7826000       1.019200    
 H    5.235200       1.358100      -1.169100    
 H    5.361000      -1.071200      -1.571500    
 H    3.598100      -2.575600     -0.6864000    
 H   -3.585400      -1.637800       1.105300    
 H   -1.959000     -0.9463000       1.136900    
 H   -1.464800       1.247400      0.1946000    
 H   -5.459800     -0.3690000      0.1719000    
 H   -2.376400       3.490700     -0.2977000    
 H   -6.359900       1.878800     -0.3211000    
 H   -4.822900       3.812000     -0.5572000    
 H   -1.364700      -3.859700       2.040600    
 H   0.3313000      -4.253700       1.629600    
 H  -6.6799998E-02  -2.697500       2.390600    


%chk=000055521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055521

0 1
S -1.868199 -1.306706 -1.926221
O 1.522377 -1.218056 0.094475
O -2.960045 -0.268190 -0.879999
O 0.661178 0.314257 -1.498579
N -0.476917 -1.677653 -0.897778
C 4.969083 2.491623 -0.380449
C 4.469272 1.173964 0.219829
C 5.133288 2.392102 -1.920888
C 4.041582 3.677312 -0.001514
C 3.207996 0.649120 -0.171406
C 5.250070 0.468228 1.166802
C 2.765423 -0.566203 0.390403
C 4.786767 -0.748128 1.721847
C 3.539391 -1.275759 1.336512
C -4.799485 -0.054128 0.650489
C -3.815017 -1.046948 0.082291
C 0.576743 -0.739787 -0.838810
C -4.486924 0.677840 1.824092
C -6.038465 0.180728 0.001388
C -5.397257 1.624724 2.342942
C -6.950996 1.126289 0.517646
C -6.632105 1.849965 1.690838
C -0.474086 -2.899423 -0.055370
H 5.969526 2.694166 0.052675
H 5.822103 1.573835 -2.198387
H 5.534838 3.338496 -2.328312
H 4.161857 2.198271 -2.411864
H 3.025793 3.532278 -0.412434
H 4.439609 4.625107 -0.409306
H 3.951566 3.781065 1.094945
H 2.582655 1.172229 -0.896289
H 6.223267 0.871893 1.470561
H 5.398015 -1.286458 2.454378
H 3.157169 -2.214496 1.747995
H -4.321724 -1.867831 -0.460871
H -3.168011 -1.473289 0.873746
H -3.525277 0.511279 2.324104
H -6.282113 -0.373425 -0.913045
H -5.145676 2.186072 3.249534
H -7.905646 1.299987 0.008894
H -7.339637 2.584009 2.092640
H -1.344566 -3.510574 -0.339104
H 0.449448 -3.477051 -0.224303
H -0.531873 -2.644338 1.017601


